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Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
TL;DR: Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide (CAS 327094-12-2) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)adamantane-1-carboxamide
Also Known As: TimTec1_000546, BAS 00469547, Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide, N-(1,3-benzodioxol-5-ylmethyl)adamantane-1-carboxamide, BRD-K27028766-001-01-7
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.2479 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 618.73065 |
Chemical Identifiers
| CAS Number | 327094-12-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide (CAS 327094-12-2), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)adamantane-1-carboxamide.
Chemical Property Profile of Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
Property Insights of Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
The XLogP value of 3.2479 indicates that Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
The CAS number of Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide is 327094-12-2.
What is the molecular formula of Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
The molecular formula of Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide is C19H23NO3.
What is the molecular weight of Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
The molecular weight of Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide is 313.17 g/mol.
Where can I buy Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
You can request a quote for Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
Yes, KEHONG BIO provides custom synthesis services for Adamantane-1-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.